1-[2-(3-chloranyl-2-nitro-phenyl)-4-methyl-benzimidazol-1-yl]-3,3-dimethyl-butan-2-ol

Systemtic Name: 1-[2-(3-chloranyl-2-nitro-phenyl)-4-methyl-benzimidazol-1-yl]-3,3-dimethyl-butan-2-ol Openeye Name: 1-[2-(3-chloro-2-nitro-phenyl)-4-methyl-benzimidazol-1-yl]-3,3-dimethyl-butan-2-ol CAS Name: 1-[2-(3-chloro-2-nitrophenyl)-4-methyl-1-benzimidazolyl]-3,3-dimethyl-2-butanol IUPAC Name: 1-[2-(3-chloro-2-nitrophenyl)-4-methylbenzimidazol-1-yl]-3,3-dimethylbutan-2-ol Traditional Name: 1-[2-(3-chloro-2-nitro-phenyl)-4-methyl-benzimidazol-1-yl]-3,3-dimethyl-butan-2-ol Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)C3=C(C(=CC=C3)Cl)[N+](=O)[O-])CC(C(C)(C)C)O

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)C3=C(C(=CC=C3)Cl)[N+](=O)[O-])CC(C(C)(C)C)O

InChI

InChI=1S/C20H22ClN3O3/c1-12-7-5-10-15-17(12)22-19(23(15)11-16(25)20(2,3)4)13-8-6-9-14(21)18(13)24(26)27/h5-10,16,25H,11H2,1-4H3